1-methoxy-3,4-dimethylpyrrole-2,5-diol

C7H11NO3 — CID 91357511

IUPAC1-methoxy-3,4-dimethylpyrrole-2,5-diol
SMILESCOn1c(O)c(C)c(C)c1O
InChIInChI=1S/C7H11NO3/c1-4-5(2)7(10)8(11-3)6(4)9/h9-10H,1-3H3
InChIKeyIBKGAABXFYJIFK-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.57
Rot. Bonds1

About 1-methoxy-3,4-dimethylpyrrole-2,5-diol

1-methoxy-3,4-dimethylpyrrole-2,5-diol (PubChem CID 91357511) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-methoxy-3,4-dimethylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-methoxy-3,4-dimethylpyrrole-2,5-diol
PubChem CID91357511
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-methoxy-3,4-dimethylpyrrole-2,5-diol
SMILESCOn1c(O)c(C)c(C)c1O
InChIInChI=1S/C7H11NO3/c1-4-5(2)7(10)8(11-3)6(4)9/h9-10H,1-3H3
InChIKeyIBKGAABXFYJIFK-UHFFFAOYSA-N
XLogP0.57
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol
CID 90855816
3,4-Dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol
CID 90883535
1-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-diol
CID 91287767
(2,5-Dihydroxy-3,4-dimethylpyrrol-1-yl) trifluoromethanesulfonate
CID 91561493
1,5-Dihydroxy-3,4-dimethyl-2-hydrogen-pyrrole
CID 171393951
3,4-dimethyl-1H-pyrrole-2,5-diol
CID 53631232
(2,5-Dihydroxy-3,4-dimethylpyrrol-1-yl) acetate
CID 53764964
1-Hydroxy-3-methylpyrrole-2,5-diol
CID 53771929
3-Ethenyl-1,4-dimethylpyrrole-2,5-diol
CID 53865610
1-(Hydroxymethyl)-3,4-dimethylpyrrole-2,5-diol
CID 54194747
1,3,4-Trimethylpyrrole-2,5-diol
CID 54321733
3,4-Dimethyl-1-propan-2-ylpyrrole-2,5-diol
CID 90692852

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,4-dimethylpyrrole-2,5-diol?
The IUPAC name of 1-methoxy-3,4-dimethylpyrrole-2,5-diol (CID 91357511) is 1-methoxy-3,4-dimethylpyrrole-2,5-diol.
What is the SMILES notation for 1-methoxy-3,4-dimethylpyrrole-2,5-diol?
The canonical SMILES for 1-methoxy-3,4-dimethylpyrrole-2,5-diol is COn1c(O)c(C)c(C)c1O.
What is the InChIKey of 1-methoxy-3,4-dimethylpyrrole-2,5-diol?
The InChIKey is IBKGAABXFYJIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-5(2)7(10)8(11-3)6(4)9/h9-10H,1-3H3.
What are the key properties of 1-methoxy-3,4-dimethylpyrrole-2,5-diol?
1-methoxy-3,4-dimethylpyrrole-2,5-diol has a molecular weight of 157.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,4-dimethylpyrrole-2,5-diol is sourced from PubChem (CID 91357511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).